SCHEMBL7015692

SCHEMBL7015692

Cc1ccc(NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
GAA P10253 2/20 0.67
MAPT P10636 2/20 0.67
ALOX12 P18054 1/20 0.67
HTR2A P28223 3/20 0.63
HTR1A P08908 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
SIRT1 Q96EB6 1/20 0.62
PTGS2 P35354 1/20 0.60
CDK4 P11802 1/20 0.58
CCND1 P24385 1/20 0.58
DRD2 P14416 1/20 0.58
HTR7 P34969 1/20 0.58
HTR6 P50406 1/20 0.58
MC5R P33032 1/20 0.57
MC3R P41968 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6599683 0.88 HTR2A (0.71) HRH3KMT2AMEN1MAPTHTR2A
Hydrochloric Acid SCHEMBL11602872 0.86 HTR2A (0.70) HRH3KMT2AMEN1MAPTHTR2A
SCHEMBL8263255 0.85 HTR2A (0.65) HRH3KMT2AMEN1HTR2AHTR1A
SCHEMBL28413707 0.85 HRH3 (0.63) HRH3KMT2AMEN1HTR2AHTR1A
SCHEMBL13119267 0.85 HRH3 (0.59) HRH3KMT2AMEN1GAAMAPT
SCHEMBL14494802 0.85 HRH3 (0.62) HRH3KMT2AMEN1HTR2AHTR1A
SCHEMBL7006163 0.85 DRD2 (0.73) HRH3KMT2AMEN1MAPTHTR2A
SCHEMBL19778568 0.83 HRH3 (0.67) HRH3KMT2AMEN1HTR2AHTR1A
SCHEMBL7011744 0.83 GOT1 (0.70) HRH3KMT2AMEN1MAPTHTR2A
SCHEMBL8264766 0.82 CDK2 (0.61) HRH3KMT2AMEN1MAPTHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 WO disclosed
EP-0923581-B1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMA (US) 2003-05-21 EP disclosed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 US disclosed
EP-0677042-B1 SELECTIVE LIGANDS OF 5HT1D-5HT1B RECEPTORS DERIVED FROM INDOLE-PIPERAZINE USEFUL AS MEDICAMENTS PF MEDICAMENT (FR) 1998-07-22 EP disclosed
EP-0677042-A1 SELECTIVE LIGANDS OF RECEPTORS 5-HT 1D?-5HT 1B? DERIVED FROM INDOLE-PIPERAZINE USEFUL AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 1995-10-18 EP disclosed
WO-1994015916-A1 SELECTIVE LIGANDS OF RECEPTORS 5-HT1D-5HT1B DERIVED FROM INDOLE-PIPERAZINE USEFUL AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 1994-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 HRH3 3011/4885KMT2A 2135/4885MEN1 2060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.